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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS1979

The asteroids - Accretion, differentiation, fragmentation, and irradiation

Various types of meteorites have experienced processes of condensation, accretion, metamorphism, differentiation, brecciation, irradiation and fragmentation. A typical view of meteorite formation has been that the processes following accretion take place in a few asteroidal-sized (approximately 100 km) objects. Discovery of decay products of now extinct Al-26 and Pd-107 in meteorites, discovery of isotopic heterogeneity among meteorite types, re-analysis of meteorite cooling rates, and continuing study of meteoritic compositions have led some meteoriticists to conclude that meteorites obtained their chemical, isotopic, and some textural characteristics in objects initially less than 10 km in diameter. Such a scenario, which is described in this paper, raises the possibility that some of these small planetesimals may have been 'condensation nuclei' for the formation of comets as well as the precursors of asteroids.

Wilkening, L. L.↗
NASA NTRS1999

Global Precipitation during the 1997-98 El Nino and Initiation of the 1998-99 La Nina

The 1997-99 ENSO (El nino Southern Oscillation) cycle was very powerful, but also well observed. The best satellite rainfall estimates combined with gauge observations allow for a global analysis of precipitation anomalies accompanying the 1997-98 El Nino and initiation of the 1998-99 La Nina. For the period April 1997 to March 1998 the central to eastern Pacific, southeastern and western U.S., Argentina, eastern Africa, South China, eastern Russia, and North Atlantic were all more than two standard deviations wetter than normal. During the same year the Maritime Continent, eastern Indian Ocean, subtropical North Pacific, northeastern South America, and much of the mid- latitude southern oceans were more than two standard deviations drier than normal. An analysis of the evolution of the El Nino and accompanying precipitation anomalies revealed that a dry Maritime Continent led the formation of the El Nino SST (Sea Surface Temperature), while in the central Pacific, precipitation anomalies lagged the El Nino SST by a season. A rapid transition from El Nino to La Nina occurred in May 1998, but as early as October-November 1997 precipitation indices captured precursor changes in Pacific rainfall anomalies. Differences were found between observed and modeled [NCEP/NCAR (National Centers for Environmental Prediction/National Center for Atmospheric Research) reanalysis] precipitation anomalies for 1997 and 98. In particular, the model had a bias towards positive precipitation anomalies and the magnitudes of the anomalies in the equatorial Pacific were small compared to the observations. Also, the evolution of the precipitation field, including the drying of the Maritime Continent and eastward progression of rainfall in the equatorial Pacific, was less pronounced for the model compared to the observations. One degree daily estimates of rainfall show clearly the MaddenJulian Oscillation and related westerly wind burst events over the Maritime Continent, which are key indicators for the onset of El Nino.

Curtis, Scott↗
NASA NTRS2010

Genesis of Pre-Hurricane Felix (2007): The Role of the Easterly Wave Critical Layer - Part 1

The formation of pre Hurricane Felix (2007) in a tropical easterly wave is examined in a two-part study using the Weather Research and Forecasting (WRF) model with a high-resolution nested grid configuration that permits the representation of cloud system processes. The simulation commences during the wave stage of the precursor African easterly-wave disturbance. Here the simulated and observed developments are compared, while in Part II of the study various large-scale analyses, physical parameterizations, and initialization times are explored to document model sensitivities. In this first part the authors focus on the wave/vortex morphology, its interaction with the adjacent intertropical convergence zone complex, and the vorticity balance in the neighborhood of the developing storm. Analysis of the model simulation points to a bottom-up development process within the wave critical layer and supports the three new hypotheses of tropical cyclone formation proposed recently by Dunkerton, Montgomery, and Wang. It is shown also that low-level convergence associated with the ITCZ helps to enhance the wave signal and extend the "wave pouch" from the jet level to the top of the atmospheric boundary layer. The region of a quasi-closed Lagrangian circulation within the wave pouch provides a focal point for diabatic merger of convective vortices and their vortical remnants. The wave pouch serves also to protect the moist air inside from dry air intrusion, providing a favorable environment for sustained deep convection. Consistent with the authors' earlier findings, the tropical storm forms near the center of the wave pouch via system-scale convergence in the lower troposphere and vorticity aggregation. Components of the vorticity balance are shown to be scale dependent, with the immediate effects of cloud processes confined more closely to the storm center than the overturning Eliassen circulation induced by diabatic heating, the influence of which extends to larger radii.

Wang, Zhuo↗
DOE OSTI2016

Influence of ZnO seed layer precursor molar ratio on the density of interface defects in low temperature aqueous chemically synthesized ZnO nanorods/GaN light-emitting diodes

Low temperature aqueous chemical synthesis (LT-ACS) of zinc oxide (ZnO) nanorods (NRs) has been attracting considerable research interest due to its great potential in the development of light-emitting diodes (LEDs). The influence of the molar ratio of the zinc acetate (ZnAc): KOH as a ZnO seed layer precursor on the density of interface defects and hence the presence of non-radiative recombination centers in LT-ACS of ZnO NRs/GaN LEDs has been systematically investigated. The material quality of the as-prepared seed layer as quantitatively deduced by the X-ray photoelectron spectroscopy is found to be influenced by the molar ratio. It is revealed by spatially resolved cathodoluminescence that the seed layer molar ratio plays a significant role in the formation and the density of defects at the n-ZnO NRs/p-GaN heterostructure interface. Consequently, LED devices processed using ZnO NRs synthesized with molar ratio of 1:5 M exhibit stronger yellow emission (∼575 nm) compared to those based on 1:1 and 1:3 M ratios as measured by the electroluminescence. Furthermore, seed layer molar ratio shows a quantitative dependence of the non-radiative defect densities as deduced from light-output current characteristics analysis. These results have implications on the development of high-efficiency ZnO-based LEDs and may also be helpful in understanding the effects of the ZnO seed layer on defect-related non-radiative recombination.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Structural Evolution During Perovskite Crystal Formation and Degradation: In Situ and Operando X–Ray Diffraction Studies

This review provides an update on the progress in understanding formation and degradation mechanisms in halide perovskites for photovoltaic applications, as supported by in situ and operando X–ray scattering techniques. The value of these real–time analyses is particularly high for gaining insights into the structural evolution during crystal formation and decomposition upon exposure to external stress factors. This type of analysis reveals the pathways between starting and end points of a process rather than being limited to comparing states before and after the process. Special attention is put on the successful efforts toward upscaling including deposition techniques that are compatible to roll–to–roll processing. These processes are realized using fast annealing procedures. The development of these processes strongly benefited from in situ studies exploring the direct transition from precursor to perovskite without going through observable crystalline intermediate phases. A particular focus of this review is the benefit of using in situ and operando X–ray scattering techniques to better understand and ultimately improve device stability. In conclusion, the difference between structural stability of thin films and structural stability under device operation is highlighted, convincingly demonstrating the indispensability of operando studies.

36 MATERIALS SCIENCE↗
DOE OSTI2026

A Chemoselective and Stereodivergent Platform of Heme‐Nitrene Transferases to Access Chiral Aryl‐β‐Amino Esters and An Investigation of the Sequence‐Activity Landscape

Engineered biocatalysts can utilize nitrene precursors to access enantioenriched amination products, yet they have not been applied to produce valuable, enantiomerically enriched noncanonical β-amino esters. Current approaches to synthesizing β-amino acids rely on pre-oxidized precursors and multistep synthetic approaches involving various protecting groups. We engineered a platform of heme enzymes for stereoselective C–H bond amination of readily available carboxylic ester derivatives to install primary amines. A directed evolution campaign coupled with sequencing of over 1000 variants enabled us to develop engineered variants that use either O-pivaloylhydroxylamine triflic acid (PONT) or hydroxylamine hydrochloride (H 2 NOH∙HCl) as aminating reagents. An analysis of the resulting sequence–activity dataset revealed additional improvements that could be made to the final variant, highlighting the utility of sequencing data to guide future steps in directed evolution campaigns. Furthermore, the evolved nitrene transferases expand the scope of accessible chiral β-amino acid building blocks for peptidomimetic applications and provide new starting points for the design and synthesis of enantioenriched β-amino acid motifs.

amino ester building blocks↗
DOE OSTI2022

Half-cell electrode assessments of a crossover-tolerant direct methanol fuel cell with a platinum group metal-free cathode

In this work, a platinum group metal- free (PGM-free) Fe-N-C oxygen reduction reaction (ORR) catalyst derived from metal organic framework precursors (Fe-MOF) is evaluated at the cathode side of a direct methanol fuel cell (DMFC). A wide range of methanol concentrations were used, and the performance of the DMFC using air was evaluated and compared to a commercial Pt/C cathode. We conducted our tests with a custom, integrated H 2 reference electrode that separately provided the anode and cathode overpotentials. This allowed us to perform a Tafel analysis on both electrodes and understand the dominant polarizations involved at the PGM-free cathode and the PtRu/C anode. Overall, we achieved a high cell performance using a Fe-N-C based catalyst under liquid methanol and air operation with a peak power density of 111 mW/cm 2 , where the cathode presented a markedly larger contribution to the voltage loss versus the anode. Additionally, we used nanoscale X-ray computed tomography (nano-CT) to image the Fe-N-C cathode and investigate the ionomer and pore size distributions allowing us to identify areas of improvement for catalyst layer fabrication.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2016

Activated carbon fiber composites for gas phase ammonia adsorption

Low–cost activated carbon fiber composites (ACFCs) were explored as the basis for a system to remove NH 3 from the gas phase. ACFCs were synthesized by chemically activating a phenolic precursor on a glass fiber substrate using ZnCl 2 as catalyst. Additionally, ACFCs were oxidized with concentrated nitric acid at both room temperature and 83 °C to increase the density of surface oxygen groups. Commercially available phenolic-based physically activated carbon fibers were also oxidized under the same condition as a benchmark. Both physical properties and surface chemical properties of these materials were characterized using SEM, BET, elemental analysis, FTIR, XPS, and Boehm titration. Dynamic flowthrough NH 3 adsorption was measured at 500 ppm, at both 0% and 50% relative humidity. Here the results suggest ACFCs exhibit high surface area, rich oxygen functional groups, with post-treatment further improving surface oxygen content. ACFCs displayed fast sorption kinetics and high NH 3 adsorption capacity up to 50 mg/g. Acidic oxygen groups at the surface are correlated with ammonia adsorption. A new anhydride-based reaction mechanism was identified and is proposed, collectively with carboxylic acid functional groups, as being primarily responsible for retaining NH 3 .

36 MATERIALS SCIENCE↗
DOE OSTI2020

Catalytic strategy for conversion of fructose to organic dyes, polymers, and liquid fuels

We illustrate a process to produce a versatile platform chemical from biomass-derived fructose for organic dye, polymer, and liquid fuel industries. An aldol-condensed chemical (HAH) is synthesized as a platform chemical from fructose by catalytic reactions in acetone/water solvent with non-noble metal catalysts (e.g., HCl, NaOH). Then, selective reactions (e.g., etherification, reduction, dimerization) of the functional groups, such as enone and hydroxyl groups, in the HAH molecule enable applications in organic dyes and polyether precursors. High yields of target products, such as 5-(hydroxymethyl) furfural (HMF) (85.9% from fructose) and HAH (86.3% from HMF) are achieved by sequential dehydration and aldol-condensation with a simple purification process (>99% HAH purity). The use of non-noble metal catalysts, the high yield of each reaction, and the simple purification of the target product allow for beneficial economics of the process. Techno-economic analysis indicates that the process produces HAH at minimum selling price (MSP) of $1958 per ton. The MSP of HAH product allows the economic viability of applications in organic dye and polyether markets by replacing its counterparts, such as anthraquinone ($3200-$3900 per ton) and bisphenol-A ($1360-$1720 per ton).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1986

Process research of non-Czochralski silicon material

Simultaneous diffusion of liquid precursors containing phosphorus and boron into dendritic web silicon to form solar cell structures was investigated. A simultaneous junction formation techniques was developed. It was determined that to produce high quality cells, an annealing cycle (nominal 800 C for 30 min) should follow the diffusion process to anneal quenched-in defects. Two ohm-cm n-base cells were fabricated with efficiencies greater than 15%. A cost analysis indicated that the simultansous diffusion process costs can be as low as 65% of the costs of the sequential diffusion process.

Campbell, R. B.↗
DOE OSTI2021

Regulatory Research Planning for Micro-Reactor Development

A limited-scope Regulatory Research Development Plan (RRDP) is being developed to link important advanced non light water nuclear microreactor technology research and development (R&D) activities sponsored by the U.S. Department of Energy’s Office of Nuclear Energy (DOE NE), Science, and Technology to regulatory requirements and critical licensing needs likely to impact the deployment of a domestic commercial microreactor fleet. This document is a precursor to that forthcoming limited scope microreactor RRDP. This report is being published to aid in the identification of key fiscal year (FY) 2022 topical research opportunities (as conveyed to the RRDP development team) by respondent microreactor developers and suppliers in consideration of micro-reactor regulatory needs and challenges noted by industry, DOE, and Nuclear Regulatory Commission (NRC) stakeholders. Although this document does not contain the regulatory effects analysis and R&D recommendations that is expected in the final RRDP, this document is being released now to assist DOE researchers and investigators in FY22 research planning activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2017

Secondary organic aerosol formation in biomass-burning plumes: theoretical analysis of lab studies and ambient plumes

Abstract. Secondary organic aerosol (SOA) has been shown to form in biomass-burning emissions in laboratory and field studies. However, there is significant variability among studies in mass enhancement, which could be due to differences in fuels, fire conditions, dilution, and/or limitations of laboratory experiments and observations. This study focuses on understanding processes affecting biomass-burning SOA formation in laboratory smog-chamber experiments and in ambient plumes. Vapor wall losses have been demonstrated to be an important factor that can suppress SOA formation in laboratory studies of traditional SOA precursors; however, impacts of vapor wall losses on biomass-burning SOA have not yet been investigated. We use an aerosol-microphysical model that includes representations of volatility and oxidation chemistry to estimate the influence of vapor wall loss on SOA formation observed in the FLAME III smog-chamber studies. Our simulations with base-case assumptions for chemistry and wall loss predict a mean OA mass enhancement (the ratio of final to initial OA mass, corrected for particle-phase wall losses) of 1.8 across all experiments when vapor wall losses are modeled, roughly matching the mean observed enhancement during FLAME III. The mean OA enhancement increases to over 3 when vapor wall losses are turned off, implying that vapor wall losses reduce the apparent SOA formation. We find that this decrease in the apparent SOA formation due to vapor wall losses is robust across the ranges of uncertainties in the key model assumptions for wall-loss and mass-transfer coefficients and chemical mechanisms.We then apply similar assumptions regarding SOA formation chemistry and physics to smoke emitted into the atmosphere. In ambient plumes, the plume dilution rate impacts the organic partitioning between the gas and particle phases, which may impact the potential for SOA to form as well as the rate of SOA formation. We add Gaussian dispersion to our aerosol-microphysical model to estimate how SOA formation may vary under different ambient-plume conditions (e.g., fire size, emission mass flux, atmospheric stability). Smoke from small fires, such as typical prescribed burns, dilutes rapidly, which drives evaporation of organic vapor from the particle phase, leading to more effective SOA formation. Emissions from large fires, such as intense wildfires, dilute slowly, suppressing OA evaporation and subsequent SOA formation in the near field. We also demonstrate that different approaches to the calculation of OA enhancement in ambient plumes can lead to different conclusions regarding SOA formation. OA mass enhancement ratios of around 1 calculated using an inert tracer, such as black carbon or CO, have traditionally been interpreted as exhibiting little or no SOA formation; however, we show that SOA formation may have greatly contributed to the mass in these plumes.In comparison of laboratory and plume results, the possible inconsistency of OA enhancement between them could be in part attributed to the effect of chamber walls and plume dilution. Our results highlight that laboratory and field experiments that focus on the fuel and fire conditions also need to consider the effects of plume dilution or vapor losses to walls.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Techno-economic analysis of the use of atomic layer deposited transition metal oxides in silicon heterojunction solar cells

The industry for producing silicon solar cells and modules has grown remarkably over the past decades, with more than a 100-fold reduction in price over the past 45?years. The main solar cell fabrication technology has shifted over that time and is currently dominated by the passivated emitter and rear cell (PERC). Other technologies are expected to increase in market share, including tunnel-oxide passivated contact (TOPCon) and heterojunction technology (HJT). In this paper, we examine the cost potential for using atomic layer deposition (ALD) to form transition metal oxide (TMO) layers (MoO x , TiO x and aluminium-doped zinc oxide [AZO]) to use as lower cost alternatives of the p-doped, n-doped and indium tin oxide (ITO) layers, respectively, the layers normally used in HJT solar cells. Using a bottom-up cost and uncertainty model with equipment cost data and process experience in the lab, we find that the production cost of these variations will likely be lower per wafer than standard HJT, with the main cost drivers being the cost of the ALD precursors at high-volume production. We then considered what efficiency is required for these sequences to be cost effective in $/W and discuss whether these targets are technically feasible. This work motivates further work in developing these ALD TMO processes to increase their efficiency towards their theoretical limits to take advantage of the processing cost advantage.

14 SOLAR ENERGY↗
DOE OSTI2023

In situ studies of reversible solid–gas reactions of ethylene responsive silver pyrazolates

Solid–gas reactions and in situ powder X-ray diffraction investigations of trinuclear silver complexes {[3,4,5-(CF 3 ) 3 Pz]Ag} 3 and {[4-Br-3,5-(CF 3 ) 2 Pz]Ag} 3 supported by highly fluorinated pyrazolates reveal that they undergo intricate ethylene-triggered structural transformations in the solid-state producing dinuclear silver–ethylene adducts. Despite the complexity, the chemistry is reversible producing precursor trimers with the loss of ethylene. Less reactive {[3,5-(CF 3 ) 2 Pz]Ag} 3 under ethylene pressure and low-temperature conditions stops at an unusual silver–ethylene complex in the trinuclear state, which could serve as a model for intermediates likely present in more common trimer–dimer reorganizations described above. Complete structural data of three novel silver–ethylene complexes are presented together with a thorough computational analysis of the mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1978

The Earth Radiation Budget Satellite System

The scientific objectives of an Earth Radiation Budget Satellite System (ERBSS) are discussed along with the associated data analysis methods, mission analysis, and the instrument systems. High resolution data on the scale of about 250 km over the entire globe are essential to gain insight into such features as the development of sea-surface temperature anomalies, radiation effects of ice and snow cover on the atmospheric circulation, albedo variation in the desert-vegetation boundaries, and major long-period circulation phenomena. The ERBSS experiment is also viewed as a precursor of an operational satellite system for monitoring the earth's radiation budget. Various numbers of satellites and orbit inclinations have been analyzed to define the satellite combination which provides sufficient coverage of the earth for spatial and temporal radiation sampling.

Woerner, C. V.↗
DOE OSTI2018

Extending the Compositional Range of Nanocasting in the Oxozirconium Cluster-Based Metal–Organic Framework NU-1000—A Comparative Structural Analysis

Here, the process of nanocasting in metal-organic frameworks (MOFs) is a versatile approach to modify these porous materials by introducing supporting scaffolds. The nanocast scaffolds can stabilize metal-oxo clusters in MOFs at high temperatures and modulate their chemical environments. Here we demonstrate a range of nanocasting approaches in the MOF NU-1000, which contains hexanuclear oxozirconium clusters (denoted as Zr 6 clusters) that are suitable for modification with other metals. We developed methods for introducing SiO 2 , TiO 2 , polymeric, and carbon scaffolds into the NU-1000 structure. The responses of NU-1000 towards different scaffold precursors were studied, including the effects on morphology, precursor distribution, and porosity after nanocasting. Upon removal of organic linkers in the MOF by calcination/pyrolysis at 500 °C or above, the Zr 6 clusters remained accessible and maintained their Lewis acidity in SiO 2 nanocast samples, whereas additional treatment was necessary for Zr 6 clusters to become accessible in carbon nanocast samples. Aggregation of Zr 6 clusters was largely prevented with SiO 2 or carbon scaffolds even after thermal treatment at 500 °C or above. In the case of titania nanocasting, NU- 1000 crystals underwent a pseudomorphic transformation, in which Zr 6 clusters reacted with titania to form small oxaggregates of a Zr/Ti mixed oxide with a local structure resembling that of ZrTi 2 O 6 . In conclusion, the ability to maintain high densities of discrete Lewis acidic Zr 6 clusters on SiO 2 or carbon supports at high temperatures provides a starting point for designing new thermally stable catalysts.

36 MATERIALS SCIENCE↗
NASA NTRS1979

Instrumentation concepts and requirements for a space vacuum research facility

An earth-orbiting molecular shield that offers a unique opportunity for conducting physics, chemistry, and material processing experiments under a combination of environmental conditions that are not available in terrestrial laboratories is equipped with apparatus for forming a molecular beam from the freestream. Experiments are carried out using a moderate energy, high flux density, high purity atomic oxygen beam in the very low density environment within the molecular shield. As a minimum, the following instruments are required for the molecular shield: (1) a mass spectrometer; (2) a multifunction material analysis instrumentation system; and (3) optical spectrometry equipment. The design is given of a furlable molecular shield that allows deployment and retrieval of the system (including instrumentation and experiments) to be performed without contamination. Interfaces between the molecular shield system and the associated spacecraft are given. An in-flight deployment sequence is discussed that minimizes the spacecraft-induced contamination in the vicinity of the shield. Design approaches toward a precursor molecular shield system are shown.

Norton, H. N.↗
DOE OSTI2017

Bioderived Muconates by Cross-Metathesis and Their Conversion into Terephthalates

Polyethylene terephthalate that is 100 % bioderived is in great demand in the market guided by the ever-more exigent sustainability regulations with the challenge of producing renewable terephthalic acid remaining. Renewable terephthalic acid or its precursors can be obtained by Diels–Alder cycloaddition and further dehydrogenation of biomass-derived muconic acid. The cis,cis isomer of the dicarboxylic acid is typically synthesized by fermentation with genetically modified microorganisms, a process that requires complex separations to obtain a high yield of the pure product. Moreover, the cis isomer has to be transformed into the trans,trans form and has to be esterified before it is suitable for terephthalate synthesis. To overcome these challenges, we investigated the synthesis of dialkyl muconates by cross-metathesis. The Ru-catalyzed cross-coupling of sorbates with acrylates, which can be bioderived, proceeded selectively to yield diester muconates in up to 41 % yield by using very low catalyst amounts (0.5–3.0 mol %) and no solvent. In the optimized procedure, the muconate precipitated as a solid and was easily recovered from the reaction medium. Analysis by GC–MS and NMR spectroscopy showed that this method delivered exclusively the trans,trans isomer of dimethyl muconate. The Diels–Alder reaction of dimethyl muconate with ethylene was studied in various solvents to obtain 1,4-bis(carbomethoxy)cyclohexene. The cycloaddition proceeded with very high conversions (77–100 %) and yields (70–98 %) in all of the solvents investigated, and methanol and tetrahydrofuran were the best choices. Next, the aromatization of 1,4-bis(carbomethoxy)cyclohexene to dimethyl terephthalate over a Pd/C catalyst resulted in up to 70 % yield in tetrahydrofuran under an air atmosphere. Because of the high yield of the reaction of dimethyl muconate to 1,4-bis(carbomethoxy)cyclohexene, no separation step was needed before the aromatization. This is the first time that cross-metathesis is used to produce bioderived trans,trans-muconates as precursors to renewable terephthalates, important building blocks in the polymer industry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗